3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one

C25H33NO2 — CID 10809752

IUPAC3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCCCCCN1CCCCC1
InChIInChI=1S/C25H33NO2/c27-24(17-16-22-12-4-1-5-13-22)23-14-6-7-15-25(23)28-21-11-3-10-20-26-18-8-2-9-19-26/h1,4-7,12-15H,2-3,8-11,16-21H2
InChIKeyGSVGVGXBHXZVBQ-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.54
Rot. Bonds11

About 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one

3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one (PubChem CID 10809752) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one
PubChem CID10809752
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCCCCCN1CCCCC1
InChIInChI=1S/C25H33NO2/c27-24(17-16-22-12-4-1-5-13-22)23-14-6-7-15-25(23)28-21-11-3-10-20-26-18-8-2-9-19-26/h1,4-7,12-15H,2-3,8-11,16-21H2
InChIKeyGSVGVGXBHXZVBQ-UHFFFAOYSA-N
XLogP5.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one?
The IUPAC name of 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one (CID 10809752) is 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one is O=C(CCc1ccccc1)c1ccccc1OCCCCCN1CCCCC1.
What is the InChIKey of 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one?
The InChIKey is GSVGVGXBHXZVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c27-24(17-16-22-12-4-1-5-13-22)23-14-6-7-15-25(23)28-21-11-3-10-20-26-18-8-2-9-19-26/h1,4-7,12-15H,2-3,8-11,16-21H2.
What are the key properties of 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one?
3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one has a molecular weight of 379.54 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[2-(5-piperidin-1-ylpentoxy)phenyl]propan-1-one is sourced from PubChem (CID 10809752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).